Molecule

ID:44836

General Information
Structure
MolImage
Molecular Formula
C₆H₄O₂S
Molecular Mass
140.15976
Exact Mass
139.99320037
Charge
0
InChI
InChI=1S/C6H4O2S/c7-4-5(8)6-2-1-3-9-6/h1-4H
InChIKey
DBVGLIZLQMRBMY-UHFFFAOYSA-N
Canonic Smiles
O=CC(=O)c1cccs1
Isomeric Smiles
C(=O)(C=O)c1cccs1
Calculated Properties
JChem
Acid pKa
13.168938
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.5334454
LogD (pH = 7.4)
1.5334448
Log P
1.5334454
Molar Refractivity
34.207
Polarizability
12.871218
Polar Surface Area
34.14
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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